Dodecanoic acid-1-13C

Base Information

• Chemical Name: Dodecanoic acid-1-13C
• CAS No.: 93639-08-8
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 201.31
• European Community (EC) Number: 622-018-3
• DSSTox Substance ID: DTXSID30481363
• Wikidata: Q82316724
• Mol file: 93639-08-8.mol

Synonyms:Dodecanoic acid-1-13C;93639-08-8;Lauric acid-13C;Lauric acid-1-13C;(113C)dodecanoic acid;Dodecanoicacid-1-13c;Lauric acid-1-(13-C);starbld0016601;Dodecanoic-1-13C acid(9CI);HY-Y0366S;DTXSID30481363;AKOS040754774;Lauric acid-1-13C, 99 atom % 13C;CS-0202859;Lauric acid-1-13C, S & P tested, 99 atom % 13C

Chemical Property of Dodecanoic acid-1-13C

Chemical Property:

• Melting Point: 44-46 °C(lit.)
• Boiling Point: 225 °C100 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 37.30000
• Density: 0.905 g/cm³
• LogP: 3.99190
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 201.180984839
• Heavy Atom Count: 14
• Complexity: 132

Purity/Quality:

98% ^*data from raw suppliers

Lauric acid-1-13C 99 atom % ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)O
• Isomeric SMILES: CCCCCCCCCCC[13C](=O)O
• Description: Lauric acid-13C is intended for use as an internal standard for the quantification of lauric acid by GC- or LC-MS. Lauric acid is a medium-chain saturated fatty acid. It has been found at high levels in coconut oil. Lauric acid induces the activation of NF-κB and the expression of COX-2, inducible nitric oxide synthase (iNOS), and IL-1α in RAW 264.7 cells when used at a concentration of 25 μM.